Chemical ID: 5810986

CCC(C)(C#C)NC(=O)c1cc2c3ccccc3ccc2oc1=O
Chemical ID:
5810986
Name [?]:
None
SMILES [?]:
CCC(C)(C#C)NC(=O)c1cc2c3ccccc3ccc2oc1=O
InChi [?]:
InChI=1/C20H17NO3/c1-4-20(3,5-2)21-18(22)16-12-15-14-9-7-6-8-13(14)10-11-17(15)24-19(16)23/h1,6-12H,5H2,2-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:6,1,4,5,2,16,15,17,14,19,20,11,18,13,12,10,21,8,23,3,7,9,24,22/rA:24cCCCCCCNCOCCCCCCCCCCCCOCO/rB:s1;s2;s3;s3;t5;s3;s7;d8;s8;d10;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;d12s20;s21;s10s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17NO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.87346
Area:518.792
Solvation:-4.09634
Coulombic:-42.8052
Bond Count [?]
All:26
Single:17
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:319.354
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.62
LogP (Chemaxon):3.25

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